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Year Number of Results
2012 1
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18 results

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Page 1
Exploring novel and potent molecules for disrupting DEPTOR-mTOR interaction through structure-steered screening, extra-exactitude molecular docking, prime binding free energy estimation and voguish molecular dynamics.
Shah BA, Ganai SA, Koul AM, Mohan S, Amin A, Wani Z, Majeed U, Rajamanikandan S, Farooq F, Malik FA, Shah NN, Qadri RA. Shah BA, et al. Among authors: rajamanikandan s. J Biomol Struct Dyn. 2022;40(22):12037-12047. doi: 10.1080/07391102.2021.1967785. Epub 2021 Aug 25. J Biomol Struct Dyn. 2022. PMID: 34431457
Molecular dynamics simulation of Toxin-Antitoxin (TA) system in Acinetobacter baumannii to explore the novel mechanism for inhibition of cell wall biosynthesis: Zeta Toxin as an effective therapeutic target.
Karthika A, Ramachandran B, Chitra J, Prabhu D, Rajamanikandan S, Veerapandiyan M, Jeyakanthan J. Karthika A, et al. Among authors: rajamanikandan s. J Cell Biochem. 2021 Dec;122(12):1832-1847. doi: 10.1002/jcb.30137. Epub 2021 Aug 26. J Cell Biochem. 2021. PMID: 34448250
Modelling studies reveal the importance of the C-terminal inter motif loop of NSP1 as a promising target site for drug discovery and screening of potential phytochemicals to combat SARS-CoV-2.
Prabhu D, Rajamanikandan S, Sureshan M, Jeyakanthan J, Saraboji K. Prabhu D, et al. Among authors: rajamanikandan s. J Mol Graph Model. 2021 Jul;106:107920. doi: 10.1016/j.jmgm.2021.107920. Epub 2021 Apr 19. J Mol Graph Model. 2021. PMID: 33933885 Free PMC article.
Delineating binding potential, stability of Sulforaphane-N-acetyl-cysteine in the active site of histone deacetylase 2 and testing its cytotoxicity against distinct cancer lines through stringent molecular dynamics, DFT and cell-based assays.
Ganai SA, Srinivasan P, Rajamanikandan S, Shah BA, Mohan S, Gani M, Padder BA, Qadri RA, Bhat MA, Baba ZA, Yatoo MA. Ganai SA, et al. Among authors: rajamanikandan s. Chem Biol Drug Des. 2021 Sep;98(3):363-376. doi: 10.1111/cbdd.13854. Epub 2021 Jun 19. Chem Biol Drug Des. 2021. PMID: 33966346
Computational screening of potential inhibitors targeting MurF of Brugia malayi Wolbachia through multi-scale molecular docking, molecular dynamics and MM-GBSA analysis.
Poopandi S, Sundaraj R, Rajmichael R, Thangaraj S, Dhamodharan P, Biswal J, Malaisamy V, Jeyaraj Pandian C, Jeyaraman J. Poopandi S, et al. Among authors: sundaraj r. Mol Biochem Parasitol. 2021 Nov;246:111427. doi: 10.1016/j.molbiopara.2021.111427. Epub 2021 Oct 16. Mol Biochem Parasitol. 2021. PMID: 34666103
Structural and functional characterization of 6-phosphogluconate dehydrogenase in Plasmodium falciparum (3D7) and identification of its potent inhibitors.
Karthika A, Hemavathy N, Amala M, Rajamanikandan S, Veerapandian M, Prabhu D, Vetrivel U, Jung Chen C, Jeyaraj Pandian C, Jeyakanthan J. Karthika A, et al. Among authors: rajamanikandan s. J Biomol Struct Dyn. 2024 Feb-Mar;42(4):2058-2074. doi: 10.1080/07391102.2023.2248271. Epub 2023 Aug 20. J Biomol Struct Dyn. 2024. PMID: 37599457
18 results